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SSP - 2

The document discusses different crystal structures including NaCl, cesium chloride, diamond, zincblende, and hexagonal close-packed structures. It explains the unit cells and atomic positions for each structure, noting features like interpenetrating sublattices in cesium chloride and two overlapping face-centered cubic lattices in diamond. The highest packing fractions are achieved in the face-centered cubic and hexagonal close-packed structures.

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Reema Khan
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54 views21 pages

SSP - 2

The document discusses different crystal structures including NaCl, cesium chloride, diamond, zincblende, and hexagonal close-packed structures. It explains the unit cells and atomic positions for each structure, noting features like interpenetrating sublattices in cesium chloride and two overlapping face-centered cubic lattices in diamond. The highest packing fractions are achieved in the face-centered cubic and hexagonal close-packed structures.

Uploaded by

Reema Khan
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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Crystals

Aqsa Arshad
Department of Physics,
IIU, Islamabad

10th Feb, 2014


Index System For Crystal Planes

Worked Example
Find the angle between the directions [2 1 1] and [1 1 2] in a
cubic crystal.

The two directions are [2 1 1] and [1 1 2]

We know that the angle between the two directions,

u1 u 2 + v1 v 2 + w1 w 2
cos θ =
(u12 + v12 + w12 )½ × (u 22 + v 22 + w 22 )½

2
Index System For Crystal Planes

In this case, u1 = 2, v1 = 1, w1 = 1, u2 = 1, v2 = 1, w2 = 2

(2 × 1) × (1 × 1) + (1 × 2) 5
∴ cos θ =
22 + 12 + l2 × 12 + 12 + 22 6

(or) cos θ = 0.833

θ = 35° 35′30′′.

3
Crystal Structures ---- NaCl

4
NaCl

5
NaCl

1. Sodium and chloride ions are placed at alternate points of a SC lattice, but
with a different unit cell.
2. Thus bases consist of one Na atom, one Cl atom, separated by one half the
body diagonal of a unit cube.
3. Each ion has six of the other kind of ions as its nearest neighbors.
4. Four units of NaCl in each unit cube with atoms in position
Cl: 000; ½ ½ 0; ½ 0 ½; 0 ½ ½
Na: ½ ½ ½; 00½; 0½0; ½00

6
NaCl

Take the NaCl unit cell & remove all “red” Cl ions, leaving
only the “blue” Na. Comparing this with the FCC unit cell, it
is found to be that they are identical. So, the Na ions are on a
FCC sublattice.

7
Cesium Chloride Structure
-
1. Gold colored are Cl ions at ½ ½ ½.
- +
2. Cl ions at (000) form SC cation sublattice, and Cs forms SC anion sublattice.
3. Two interpenetrating SC sublattices form CsCl structure.
+
4. Cs coordination number is 8.
5. Examples: AgMg, BeCu, AlNi, CuZn (beta), LiHg, NH4Cl etc.

8
Diamond Structure

1. Space Lattice is fcc


2. There is no way to choose the primitive cell such that bases have only
one atom.
3. Tetrahedral bonding exists, each atom has four nearest neighbours,
bond is b/w an atom with the three face atoms and one corner atom
4. Packing fraction is only 0.34
5. Covalent bonding exists b/w carbon atoms
6. Other elements that crystallize into diamond structure are Si, Ge, and
alpha Sn.
7. The diamond cubic structure is a combination of two interpenetrating
FCC sub lattices displaced along the body diagonal of the cubic cell by
1/4th length of that diagonal.
8. Thus the origins of two FCC sub lattices lie at (0, 0, 0) and
(1/4, 1/4,1/4)

9
Diamond Structure

10
Diamond Structure

The points at 0 and 1/2 are on the FCC lattice, those at 1/4 and 3/4
are on a similar FCC lattice displaced along the body diagonal by
one-fourth of its length.

11
Diamond Structure

In the diamond cubic unit cell, there are eight corner atoms, six
face centered atoms and four more atoms.
No. of atoms contributed by the corner atoms to an unit cell is
1/8×8 =1.
No. of atoms contributed by the face centred atoms to the unit
cell
is 1/2 × 6 = 3
There are four more atoms inside the structure.
No.of atoms present in a diamond cubic unit cell is 1 + 3 + 4 = 8.
Since each carbon atom is surrounded by four more carbon
atoms, the co-ordination number is 4.

12
Diamond Structure

13
Zincblend Structure

14
Zincblend structure

1. Zn atoms are placed on one fcc lattice, and S atoms on other


fcc.
2. Examples are CuF, SiC, CuCl, GaP, AlP
3. The coordinates of Zn atom are: 000; 0½½; ½0½; ½½0
4. The coordinates of S atoms are: ¼ ¼ ¼; ¼ ¾ ¾; ¾ ¼ ¾;
¾ ¾¼

15
Highest Packing Fractions

16
HCP Structure

To maximize packing fraction we discuss two arrangements


(i) FCC
(ii) HCP
In both cases the packing fraction is 0.74.
These are the most dense packing possible among regular/non regular
structures.
(iii) The A and C layers are placed so that their centres coincide.
(iv) The B layer is so placed that the each sphere of B is in contact with the
three spheres of bottom layer.
(v) The vertical axes, i.e., the direction of stacking is called c, so that
a1 = ax, a2 = xa/2 +y(3)1/2/2, a3 = cz

17
HCP structure

18
HCP Structure

19
Calculate c/a ratio of HCP structure?
Crystal Structures In Periodic Table

20
Problem 01: Chapter 01 (Charles Kittel)

21

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